5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid

C11H11FO3 — CID 130061481

IUPAC5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1ccc(F)c2c1OCC(C(=O)O)C2
InChIInChI=1S/C11H11FO3/c1-6-2-3-9(12)8-4-7(11(13)14)5-15-10(6)8/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyODKMOLWYEFJQPO-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.77
Rot. Bonds1

About 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid

5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 130061481) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID130061481
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1ccc(F)c2c1OCC(C(=O)O)C2
InChIInChI=1S/C11H11FO3/c1-6-2-3-9(12)8-4-7(11(13)14)5-15-10(6)8/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyODKMOLWYEFJQPO-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 130061481) is 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid is Cc1ccc(F)c2c1OCC(C(=O)O)C2.
What is the InChIKey of 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is ODKMOLWYEFJQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-6-2-3-9(12)8-4-7(11(13)14)5-15-10(6)8/h2-3,7H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 210.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 130061481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).